Crystallography Open Database

Information card for entry 7122304

Preview

Coordinates	7122304.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H23 Ce F3 N O4 S
Calculated formula	C22 H23 Ce F3 N O4 S
Title of publication	Towards understanding of lanthanide-transition metal bonding: investigations of the first Ce-Fe bonded complex.
Authors of publication	Burns, Corey P.; Yang, Xin; Sung, Siyoung; Wofford, Joshua D.; Bhuvanesh, Nattamai S.; Hall, Michael B.; Nippe, Michael
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	77
Pages of publication	10893 - 10896
a	14.8353 ± 0.0004 Å
b	9.9906 ± 0.0003 Å
c	15.3663 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2277.49 ± 0.11 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	7
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0425
Residual factor for significantly intense reflections	0.0242
Weighted residual factors for significantly intense reflections	0.0453
Weighted residual factors for all reflections included in the refinement	0.052
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7122304.html